3-[(4-chloro-2-fluorophenyl)methylsulfonyl]piperidine

C12H15ClFNO2S — CID 84755143

IUPAC3-[(4-chloro-2-fluorophenyl)methylsulfonyl]piperidine
SMILESO=S(=O)(Cc1ccc(Cl)cc1F)C1CCCNC1
InChIInChI=1S/C12H15ClFNO2S/c13-10-4-3-9(12(14)6-10)8-18(16,17)11-2-1-5-15-7-11/h3-4,6,11,15H,1-2,5,7-8H2
InChIKeyWNOCRQLSQIRXHS-UHFFFAOYSA-N
MW291.77 g/mol
LogP2.15
Rot. Bonds3

About 3-[(4-chloro-2-fluorophenyl)methylsulfonyl]piperidine

3-[(4-chloro-2-fluorophenyl)methylsulfonyl]piperidine (PubChem CID 84755143) has the molecular formula C12H15ClFNO2S and a molecular weight of 291.77 g/mol. Its IUPAC name is 3-[(4-chloro-2-fluorophenyl)methylsulfonyl]piperidine.

Molecular Properties

Compound Name3-[(4-chloro-2-fluorophenyl)methylsulfonyl]piperidine
PubChem CID84755143
Molecular FormulaC12H15ClFNO2S
Molecular Weight291.77 g/mol
Exact Mass291.05
IUPAC Name3-[(4-chloro-2-fluorophenyl)methylsulfonyl]piperidine
SMILESO=S(=O)(Cc1ccc(Cl)cc1F)C1CCCNC1
InChIInChI=1S/C12H15ClFNO2S/c13-10-4-3-9(12(14)6-10)8-18(16,17)11-2-1-5-15-7-11/h3-4,6,11,15H,1-2,5,7-8H2
InChIKeyWNOCRQLSQIRXHS-UHFFFAOYSA-N
XLogP2.15
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.77
LogP ≤ 52.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

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CID 71639929
N-(2-bromo-5-chlorophenyl)piperidine-3-sulfonamide
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N-[(3-chloro-4-fluorophenyl)methyl]piperidine-3-sulfonamide
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2-chloro-5-(piperidin-3-ylsulfonylmethyl)-1,3-thiazole
CID 71640431
N-(4-chlorophenyl)-2-piperidin-3-ylsulfonylacetamide
CID 84755057
N-(4-fluorophenyl)piperidine-3-sulfonamide
CID 24705038
N-(3-bromo-2,4-difluorophenyl)piperidine-3-sulfonamide
CID 155193788
N-(2-fluoro-4-methylphenyl)piperidine-3-sulfonamide
CID 43114273
4-chloro-N-ethyl-2-fluoro-N-piperidin-3-ylbenzenesulfonamide
CID 63636247
3-[(4-chloro-2,6-difluorophenyl)methyl]piperidine
CID 84802944
5-chloro-2-fluoro-N-(piperidin-3-ylmethyl)benzenesulfonamide;hydrochloride
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CID 114863179

Frequently Asked Questions

What is the IUPAC name of 3-[(4-chloro-2-fluorophenyl)methylsulfonyl]piperidine?
The IUPAC name of 3-[(4-chloro-2-fluorophenyl)methylsulfonyl]piperidine (CID 84755143) is 3-[(4-chloro-2-fluorophenyl)methylsulfonyl]piperidine.
What is the SMILES notation for 3-[(4-chloro-2-fluorophenyl)methylsulfonyl]piperidine?
The canonical SMILES for 3-[(4-chloro-2-fluorophenyl)methylsulfonyl]piperidine is O=S(=O)(Cc1ccc(Cl)cc1F)C1CCCNC1.
What is the InChIKey of 3-[(4-chloro-2-fluorophenyl)methylsulfonyl]piperidine?
The InChIKey is WNOCRQLSQIRXHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15ClFNO2S/c13-10-4-3-9(12(14)6-10)8-18(16,17)11-2-1-5-15-7-11/h3-4,6,11,15H,1-2,5,7-8H2.
What are the key properties of 3-[(4-chloro-2-fluorophenyl)methylsulfonyl]piperidine?
3-[(4-chloro-2-fluorophenyl)methylsulfonyl]piperidine has a molecular weight of 291.77 g/mol, XLogP of 2.15, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4-chloro-2-fluorophenyl)methylsulfonyl]piperidine is sourced from PubChem (CID 84755143), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).